1,4-diazepan-4-ium-1-yl(thiophen-2-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl(thiophen-2-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl(2-thienyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl(thiophen-2-yl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl(thiophen-2-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl(2-thienyl)methanone Formula: C10H15N2OS+ MolecularWeight: 211.3039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC=CS2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC=CS2

InChI

InChI=1S/C10H14N2OS/c13-10(9-3-1-8-14-9)12-6-2-4-11-5-7-12/h1,3,8,11H,2,4-7H2/p+1